{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.759552 0.17578 ] [ 0.25 0.240448 0.82422 ] [ 0.75 0.259552 0.32422 ] [ 0.25 0.740448 0.67578 ] [ 0.25 0.583312 0.956242 ] [ 0.75 0.416688 0.043758 ] [ 0.25 0.083312 0.543758 ] [ 0.75 0.916688 0.456242 ] [ 0.25 0.056557 0.114385 ] [ 0.75 0.943443 0.885615 ] [ 0.25 0.556557 0.385615 ] [ 0.75 0.443443 0.614385 ] [ 0.75 0.656392 0.458784 ] [ 0.25 0.343608 0.541216 ] [ 0.75 0.156392 0.041216 ] [ 0.25 0.843608 0.958784 ] [ 0.25 0.480416 0.166894 ] [ 0.75 0.519584 0.833106 ] [ 0.25 0.980416 0.333106 ] [ 0.75 0.019584 0.666894 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.05115154 "source-unit" "angstrom" } "b" { "source-value" 9.28425908 "source-unit" "angstrom" } "c" { "source-value" 10.41640269 "source-unit" "angstrom" } }